%chk=000058456.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058456

0 1
 O    1.844600      0.5001000     -0.2171000    
 O   0.8311000     -0.8753000       1.317700    
 N  -0.3773000      0.4916000     -0.1104000    
 N    5.528300      0.3175000     -0.1554000    
 C   -1.719700      0.1216000      0.3496000    
 C   -1.793800      0.4893000       1.870800    
 C   -2.831300      0.8977000     -0.3934000    
 C   -1.865100      -1.395900      7.7699997E-02
 C   -1.619200       1.985000       2.189200    
 C   -2.558400       2.173100     -0.8078000    
 C   -2.064400      -2.222400       1.148700    
 C   -4.029300      0.2680000     -0.5964000    
 C   -1.785800      -1.825000      -1.218200    
 C   -1.748500       2.247300       3.683100    
 C   0.7641000     -4.3200001E-02  0.4190000    
 C    4.204200      0.7430000     -0.5840000    
 C   -3.561700       2.873100      -1.477700    
 C   -2.195000      -3.589400      0.9036000    
 C   -5.032500      0.9682000      -1.266500    
 C   -1.916600      -3.191900      -1.463100    
 C    3.126300      3.9700001E-02  0.2253000    
 C   -4.798700       2.270800      -1.707000    
 C   -2.121100      -4.074000     -0.4023000    
 C    5.685400      -1.129900     -0.3173000    
 C    6.568300       1.025600     -0.9058000    
 C    7.039200      -1.595500      0.1913000    
 C    6.426700       2.530700     -0.7536000    
 H   -2.781300      0.2003000       2.260400    
 H   -1.058200     -5.7200000E-02   2.471000    
 H  -0.6428000       2.343200       1.846500    
 H   -2.391200       2.588000       1.705700    
 H  -0.2650000       1.112600     -0.9056000    
 H   -1.614700       2.677900     -0.6344000    
 H   -2.135900      -1.906200       2.180400    
 H   -4.269600     -0.7248000     -0.2343000    
 H   -1.619800      -1.151200      -2.052600    
 H   -1.627200       3.314900       3.892400    
 H   -2.731100       1.938200       4.053600    
 H  -0.9822000       1.703000       4.244200    
 H    4.040500      0.5637000      -1.655200    
 H    4.045100       1.815300     -0.4246000    
 H   -3.381500       3.889000      -1.817400    
 H   -2.355500      -4.277100       1.728800    
 H   -5.999400      0.5034000      -1.436400    
 H   -1.857500      -3.569600      -2.479700    
 H    3.125700      -1.041800      6.7599997E-02
 H    3.239800      0.2575000       1.294200    
 H   -5.580900       2.817200      -2.225800    
 H   -2.222800      -5.138300     -0.5930000    
 H    4.966400      -1.679300      0.2957000    
 H    5.547400      -1.445900      -1.358900    
 H    6.556800      0.7611000      -1.970700    
 H    7.560700      0.7810000     -0.5136000    
 H    7.854600      -1.335800     -0.4908000    
 H    7.262200      -1.190200       1.184300    
 H    7.043300      -2.688200      0.2774000    
 H    5.602200       2.936500      -1.347800    
 H    6.292800       2.824100      0.2933000    
 H    7.338100       3.021500      -1.114000    


%chk=000058456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058456

0 1
O 1.792951 1.673358 -0.304570
O 1.265449 0.019390 1.297772
N -0.378290 1.103762 -0.011481
N 5.210628 0.052156 -0.366554
C -1.577572 0.307150 0.379832
C -1.712910 0.258389 1.941853
C -2.823087 1.022142 -0.206962
C -1.438592 -1.119236 -0.230988
C -1.750640 1.624479 2.656798
C -2.867993 2.430740 -0.378372
C -1.551906 -2.305925 0.531211
C -3.988075 0.271559 -0.510412
C -1.192175 -1.237731 -1.624902
C -1.804068 1.452567 4.190871
C 0.902504 0.838493 0.413441
C 3.830211 0.334040 -0.828562
C -4.034386 3.066035 -0.862904
C -1.418226 -3.575599 -0.079160
C -5.157505 0.905301 -0.982547
C -1.058627 -2.499605 -2.238106
C 3.232614 1.477591 0.013791
C -5.185466 2.306883 -1.167999
C -1.171941 -3.679799 -1.464892
C 5.245338 -0.926784 0.756145
C 6.163275 -0.262769 -1.461463
C 6.459886 -0.734250 1.683979
C 6.559655 0.977485 -2.285018
H -2.642880 -0.295385 2.176868
H -0.859259 -0.319994 2.338532
H -0.849867 2.207515 2.384247
H -2.626214 2.211889 2.321111
H -0.460646 1.755691 -0.793303
H -2.001908 3.047317 -0.112649
H -1.728727 -2.256850 1.608927
H -3.974981 -0.816853 -0.388617
H -1.107700 -0.331087 -2.236103
H -1.826547 2.432325 4.702379
H -2.706305 0.890847 4.499692
H -0.919658 0.898954 4.557860
H 3.167704 -0.558756 -0.751192
H 3.845742 0.636991 -1.890404
H -4.043843 4.154392 -0.990802
H -1.502041 -4.481219 0.532384
H -6.043980 0.303630 -1.212912
H -0.868524 -2.565259 -3.315498
H 3.336870 1.260352 1.090836
H 3.709003 2.440291 -0.226036
H -6.090341 2.798508 -1.542024
H -1.067315 -4.663047 -1.937186
H 4.318809 -0.795482 1.345145
H 5.223382 -1.978036 0.372997
H 5.760367 -1.055794 -2.141915
H 7.075506 -0.682656 -0.999816
H 7.416717 -0.873174 1.148053
H 6.454577 0.284357 2.109771
H 6.431121 -1.466157 2.512865
H 5.684468 1.442200 -2.775147
H 7.024283 1.734920 -1.629883
H 7.279938 0.702349 -3.078279


